#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:27:03 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180435 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/04/7210411.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7210411
loop_
_publ_author_name
'Thuéry, Pierre'
_publ_section_title
;
 Uranyl--3d block metal ion heterometallic carboxylate complexes including
 additional chelating nitrogen donors
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              6533
_journal_paper_doi               10.1039/c3ce40941d
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C62 H50 N22 Ni2 O42 U4'
_chemical_formula_weight         2844.78
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.754(3)
_cell_angle_beta                 77.852(2)
_cell_angle_gamma                69.903(3)
_cell_formula_units_Z            1
_cell_length_a                   11.0756(5)
_cell_length_b                   11.6861(4)
_cell_length_c                   17.8380(10)
_cell_measurement_reflns_used    124095
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.80
_cell_volume                     2081.34(17)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Nonius Kappa-CCD area-detector diffractometer'
_diffrn_measurement_method
'2 φ and 15 ω scans with 2° steps (753 frames)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0748
_diffrn_reflns_av_unetI/netI     0.0973
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            124095
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.80
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.306
_exptl_absorpt_correction_T_max  0.474
_exptl_absorpt_correction_T_min  0.337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'translucent light orange'
_exptl_crystal_density_diffrn    2.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.166
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.236
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.898
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         12711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.898
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0036P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0549
_reflns_number_gt                8627
_reflns_number_total             12711
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40941d.txt
_cod_data_source_block           1
_cod_database_code               7210411
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 0.367425(14) 0.841846(13) 0.982622(8) 0.02382(4) Uani 1 1 d .
U2 U 0.572553(15) 0.238485(13) 0.535341(8) 0.02756(4) Uani 1 1 d .
Ni Ni 0.03328(5) 0.40902(4) 0.25737(3) 0.02101(10) Uani 1 1 d .
O1 O 0.4216(3) 0.7673(2) 1.07320(15) 0.0336(7) Uani 1 1 d .
O2 O 0.3105(3) 0.9198(2) 0.89241(14) 0.0275(6) Uani 1 1 d .
O3 O 0.5729(3) 0.8733(2) 0.92302(15) 0.0339(7) Uani 1 1 d .
O4 O 0.6335(3) 0.9647(2) 0.99824(14) 0.0278(6) Uani 1 1 d .
O5 O 0.1608(3) 0.9579(2) 1.06023(15) 0.0321(7) Uani 1 1 d .
O6 O 0.1550(3) 0.7954(3) 1.02705(16) 0.0350(7) Uani 1 1 d .
O7 O -0.0242(3) 0.9182(3) 1.07956(16) 0.0380(7) Uani 1 1 d .
O8 O 0.3414(3) 0.6502(3) 0.95610(18) 0.0414(8) Uani 1 1 d .
O9 O 0.5296(3) 0.6743(2) 0.91498(16) 0.0378(7) Uani 1 1 d .
O10 O 0.4871(4) 0.5225(3) 0.8871(2) 0.0651(11) Uani 1 1 d .
O11 O 0.5566(3) 0.3649(2) 0.57734(16) 0.0388(8) Uani 1 1 d .
O12 O 0.5873(3) 0.1115(2) 0.49451(14) 0.0303(7) Uani 1 1 d .
O13 O 0.4634(3) 0.1372(2) 0.65677(15) 0.0354(7) Uani 1 1 d .
O14 O 0.3391(3) 0.2586(2) 0.57145(16) 0.0356(7) Uani 1 1 d .
O15 O 0.2699(3) 0.1227(3) 0.66214(17) 0.0454(8) Uani 1 1 d .
O16 O 0.4366(3) 0.3698(2) 0.43424(15) 0.0313(7) Uani 1 1 d .
O17 O 0.6413(3) 0.3496(2) 0.40519(16) 0.0356(7) Uani 1 1 d .
O18 O 0.5132(3) 0.4416(3) 0.31611(16) 0.0420(8) Uani 1 1 d .
O19 O 0.8101(3) 0.1823(3) 0.50852(16) 0.0377(7) Uani 1 1 d .
O20 O 0.7316(3) 0.1035(3) 0.62354(16) 0.0415(8) Uani 1 1 d .
O21 O 0.9421(3) 0.0584(3) 0.5909(2) 0.0586(10) Uani 1 1 d .
N1 N 0.0920(4) 0.8909(3) 1.05689(18) 0.0322(8) Uani 1 1 d .
N2 N 0.4534(4) 0.6126(3) 0.9188(2) 0.0400(9) Uani 1 1 d .
N3 N 0.3534(4) 0.1711(3) 0.6323(2) 0.0358(9) Uani 1 1 d .
N4 N 0.5295(4) 0.3898(3) 0.3818(2) 0.0317(8) Uani 1 1 d .
N5 N 0.8319(4) 0.1124(3) 0.5753(2) 0.0428(10) Uani 1 1 d .
N6 N -0.0443(3) 0.2706(3) 0.25588(16) 0.0220(7) Uani 1 1 d .
N7 N 0.0814(3) 0.3958(3) 0.14005(16) 0.0228(7) Uani 1 1 d .
N8 N -0.1348(3) 0.5552(3) 0.23329(16) 0.0244(7) Uani 1 1 d .
N9 N 0.0978(3) 0.5626(3) 0.24590(16) 0.0229(7) Uani 1 1 d .
N10 N -0.0090(3) 0.3968(3) 0.37841(16) 0.0209(7) Uani 1 1 d .
N11 N 0.2040(3) 0.2818(3) 0.29198(17) 0.0241(7) Uani 1 1 d .
C1 C 0.6392(4) 0.9324(3) 0.9349(2) 0.0299(9) Uani 1 1 d .
H1 H 0.6983 0.9547 0.8933 0.036 Uiso 1 1 calc R
C2 C -0.1038(4) 0.2091(3) 0.3168(2) 0.0259(9) Uani 1 1 d .
H2 H -0.1015 0.2192 0.3665 0.031 Uiso 1 1 calc R
C3 C -0.1689(4) 0.1312(3) 0.3099(2) 0.0287(9) Uani 1 1 d .
H3 H -0.2097 0.0897 0.3537 0.034 Uiso 1 1 calc R
C4 C -0.1711(4) 0.1170(3) 0.2356(2) 0.0285(9) Uani 1 1 d .
H4 H -0.2164 0.0675 0.2286 0.034 Uiso 1 1 calc R
C5 C -0.1062(4) 0.1762(3) 0.1718(2) 0.0281(9) Uani 1 1 d .
H5 H -0.1060 0.1658 0.1217 0.034 Uiso 1 1 calc R
C6 C -0.0410(4) 0.2518(3) 0.1834(2) 0.0220(8) Uani 1 1 d .
C7 C 0.0356(4) 0.3157(3) 0.1194(2) 0.0222(8) Uani 1 1 d .
C8 C 0.0620(4) 0.2949(4) 0.0437(2) 0.0304(10) Uani 1 1 d .
H8 H 0.0289 0.2404 0.0304 0.036 Uiso 1 1 calc R
C9 C 0.1379(4) 0.3557(4) -0.0120(2) 0.0335(10) Uani 1 1 d .
H9 H 0.1561 0.3426 -0.0631 0.040 Uiso 1 1 calc R
C10 C 0.1863(4) 0.4356(4) 0.0085(2) 0.0314(10) Uani 1 1 d .
H10 H 0.2387 0.4764 -0.0279 0.038 Uiso 1 1 calc R
C11 C 0.1549(4) 0.4536(3) 0.0849(2) 0.0281(9) Uani 1 1 d .
H11 H 0.1863 0.5086 0.0988 0.034 Uiso 1 1 calc R
C12 C -0.2471(4) 0.5462(4) 0.2212(2) 0.0298(9) Uani 1 1 d .
H12 H -0.2564 0.4676 0.2303 0.036 Uiso 1 1 calc R
C13 C -0.3497(4) 0.6480(4) 0.1960(2) 0.0289(9) Uani 1 1 d .
H13 H -0.4267 0.6380 0.1900 0.035 Uiso 1 1 calc R
C14 C -0.3343(4) 0.7638(4) 0.1802(2) 0.0293(9) Uani 1 1 d .
H14 H -0.4002 0.8337 0.1620 0.035 Uiso 1 1 calc R
C15 C -0.2189(4) 0.7753(3) 0.1919(2) 0.0257(9) Uani 1 1 d .
H15 H -0.2068 0.8529 0.1812 0.031 Uiso 1 1 calc R
C16 C -0.1223(4) 0.6702(3) 0.2196(2) 0.0218(8) Uani 1 1 d .
C17 C 0.0041(4) 0.6731(3) 0.2348(2) 0.0235(8) Uani 1 1 d .
C18 C 0.0250(4) 0.7822(3) 0.2382(2) 0.0276(9) Uani 1 1 d .
H18 H -0.0418 0.8570 0.2329 0.033 Uiso 1 1 calc R
C19 C 0.1458(4) 0.7787(4) 0.2494(2) 0.0298(10) Uani 1 1 d .
H19 H 0.1616 0.8514 0.2506 0.036 Uiso 1 1 calc R
C20 C 0.2430(4) 0.6665(4) 0.2588(2) 0.0318(10) Uani 1 1 d .
H20 H 0.3255 0.6619 0.2659 0.038 Uiso 1 1 calc R
C21 C 0.2141(4) 0.5605(4) 0.2573(2) 0.0308(10) Uani 1 1 d .
H21 H 0.2788 0.4844 0.2645 0.037 Uiso 1 1 calc R
C22 C -0.1192(4) 0.4558(3) 0.4182(2) 0.0274(9) Uani 1 1 d .
H22 H -0.1850 0.5111 0.3904 0.033 Uiso 1 1 calc R
C23 C -0.1413(4) 0.4394(4) 0.4991(2) 0.0306(9) Uani 1 1 d .
H23 H -0.2194 0.4825 0.5252 0.037 Uiso 1 1 calc R
C24 C -0.0434(4) 0.3571(4) 0.5392(2) 0.0346(10) Uani 1 1 d .
H24 H -0.0546 0.3442 0.5935 0.042 Uiso 1 1 calc R
C25 C 0.0713(4) 0.2936(4) 0.4997(2) 0.0297(9) Uani 1 1 d .
H25 H 0.1370 0.2367 0.5269 0.036 Uiso 1 1 calc R
C26 C 0.0876(4) 0.3156(3) 0.4185(2) 0.0231(8) Uani 1 1 d .
C27 C 0.2080(4) 0.2563(3) 0.3703(2) 0.0221(8) Uani 1 1 d .
C28 C 0.3220(4) 0.1829(3) 0.3997(2) 0.0314(10) Uani 1 1 d .
H28 H 0.3247 0.1666 0.4531 0.038 Uiso 1 1 calc R
C29 C 0.4305(4) 0.1341(3) 0.3506(2) 0.0345(10) Uani 1 1 d .
H29 H 0.5072 0.0858 0.3704 0.041 Uiso 1 1 calc R
C30 C 0.4253(4) 0.1573(4) 0.2711(2) 0.0330(10) Uani 1 1 d .
H30 H 0.4973 0.1239 0.2367 0.040 Uiso 1 1 calc R
C31 C 0.3098(4) 0.2315(3) 0.2451(2) 0.0297(9) Uani 1 1 d .
H31 H 0.3054 0.2474 0.1918 0.036 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 U1 O2 178.69(13) . .
O1 U1 O4 91.24(10) . 2_677
O2 U1 O4 87.75(9) . 2_677
O1 U1 O3 93.57(11) . .
O2 U1 O3 86.90(10) . .
O4 U1 O3 71.43(9) 2_677 .
O1 U1 O6 91.98(11) . .
O2 U1 O6 87.70(10) . .
O4 U1 O6 115.17(9) 2_677 .
O3 U1 O6 171.30(8) . .
O1 U1 O8 94.00(10) . .
O2 U1 O8 86.94(10) . .
O4 U1 O8 172.79(9) 2_677 .
O3 U1 O8 113.10(10) . .
O6 U1 O8 59.75(10) . .
O1 U1 O9 92.18(11) . .
O2 U1 O9 89.12(11) . .
O4 U1 O9 134.29(9) 2_677 .
O3 U1 O9 62.87(8) . .
O6 U1 O9 110.24(9) . .
O8 U1 O9 50.49(9) . .
O1 U1 O5 86.34(11) . .
O2 U1 O5 92.48(11) . .
O4 U1 O5 65.43(8) 2_677 .
O3 U1 O5 136.85(8) . .
O6 U1 O5 50.24(8) . .
O8 U1 O5 109.94(9) . .
O9 U1 O5 160.27(8) . .
O12 U2 O11 179.25(12) . .
O12 U2 O19 86.73(11) . .
O11 U2 O19 93.72(12) . .
O12 U2 O16 87.38(10) . .
O11 U2 O16 92.89(11) . .
O19 U2 O16 121.03(9) . .
O12 U2 O20 90.16(10) . .
O11 U2 O20 89.65(11) . .
O19 U2 O20 52.15(9) . .
O16 U2 O20 172.92(10) . .
O12 U2 O17 90.12(10) . .
O11 U2 O17 90.60(11) . .
O19 U2 O17 69.50(9) . .
O16 U2 O17 51.89(9) . .
O20 U2 O17 121.53(10) . .
O12 U2 O14 86.92(11) . .
O11 U2 O14 92.56(12) . .
O19 U2 O14 170.63(9) . .
O16 U2 O14 65.52(9) . .
O20 U2 O14 120.99(9) . .
O17 U2 O14 117.41(9) . .
O12 U2 O13 87.21(10) . .
O11 U2 O13 92.05(11) . .
O19 U2 O13 120.86(9) . .
O16 U2 O13 117.36(9) . .
O20 U2 O13 69.10(10) . .
O17 U2 O13 169.07(9) . .
O14 U2 O13 51.89(9) . .
N11 Ni N7 95.99(12) . .
N11 Ni N6 92.74(11) . .
N7 Ni N6 79.27(11) . .
N11 Ni N8 170.75(11) . .
N7 Ni N8 90.49(12) . .
N6 Ni N8 94.95(11) . .
N11 Ni N10 79.43(12) . .
N7 Ni N10 172.42(11) . .
N6 Ni N10 94.83(11) . .
N8 Ni N10 94.78(12) . .
N11 Ni N9 93.76(11) . .
N7 Ni N9 95.67(11) . .
N6 Ni N9 172.15(11) . .
N8 Ni N9 79.00(11) . .
N10 Ni N9 90.68(11) . .
C1 O3 U1 134.7(3) . .
C1 O4 U1 128.2(2) . 2_677
N1 O5 U1 96.7(2) . .
N1 O6 U1 98.1(2) . .
N2 O8 U1 96.6(2) . .
N2 O9 U1 96.4(3) . .
N3 O13 U2 95.1(2) . .
N3 O14 U2 95.5(2) . .
N4 O16 U2 96.7(2) . .
N4 O17 U2 96.2(2) . .
N5 O19 U2 96.3(2) . .
N5 O20 U2 95.9(2) . .
O7 N1 O6 123.2(3) . .
O7 N1 O5 122.4(4) . .
O6 N1 O5 114.4(3) . .
O10 N2 O8 122.4(4) . .
O10 N2 O9 121.3(4) . .
O8 N2 O9 116.3(3) . .
O15 N3 O13 123.0(3) . .
O15 N3 O14 121.9(4) . .
O13 N3 O14 115.0(3) . .
O18 N4 O16 122.6(3) . .
O18 N4 O17 122.8(4) . .
O16 N4 O17 114.6(3) . .
O21 N5 O20 122.6(4) . .
O21 N5 O19 121.8(4) . .
O20 N5 O19 115.6(4) . .
C2 N6 C6 119.0(3) . .
C2 N6 Ni 126.7(2) . .
C6 N6 Ni 114.1(2) . .
C11 N7 C7 118.0(3) . .
C11 N7 Ni 127.3(2) . .
C7 N7 Ni 114.7(2) . .
C12 N8 C16 117.6(3) . .
C12 N8 Ni 126.7(2) . .
C16 N8 Ni 115.2(2) . .
C21 N9 C17 118.5(3) . .
C21 N9 Ni 126.9(3) . .
C17 N9 Ni 114.1(2) . .
C22 N10 C26 118.7(3) . .
C22 N10 Ni 127.0(3) . .
C26 N10 Ni 114.2(3) . .
C31 N11 C27 118.8(3) . .
C31 N11 Ni 126.3(3) . .
C27 N11 Ni 114.8(3) . .
O3 C1 O4 125.8(4) . .
O3 C1 H1 117.1 . .
O4 C1 H1 117.1 . .
N6 C2 C3 123.4(3) . .
N6 C2 H2 118.3 . .
C3 C2 H2 118.3 . .
C2 C3 C4 117.5(3) . .
C2 C3 H3 121.2 . .
C4 C3 H3 121.2 . .
C5 C4 C3 120.1(3) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 119.0(3) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
N6 C6 C5 120.8(3) . .
N6 C6 C7 115.8(3) . .
C5 C6 C7 123.4(3) . .
N7 C7 C8 121.4(3) . .
N7 C7 C6 115.4(3) . .
C8 C7 C6 123.2(3) . .
C9 C8 C7 119.4(3) . .
C9 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C10 C9 C8 119.7(4) . .
C10 C9 H9 120.2 . .
C8 C9 H9 120.2 . .
C9 C10 C11 118.0(4) . .
C9 C10 H10 121.0 . .
C11 C10 H10 121.0 . .
N7 C11 C10 123.5(3) . .
N7 C11 H11 118.3 . .
C10 C11 H11 118.3 . .
N8 C12 C13 123.5(3) . .
N8 C12 H12 118.2 . .
C13 C12 H12 118.2 . .
C14 C13 C12 118.2(3) . .
C14 C13 H13 120.9 . .
C12 C13 H13 120.9 . .
C13 C14 C15 119.2(4) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C16 C15 C14 119.4(3) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
N8 C16 C15 121.9(3) . .
N8 C16 C17 114.7(3) . .
C15 C16 C17 123.4(3) . .
N9 C17 C18 121.4(3) . .
N9 C17 C16 116.0(3) . .
C18 C17 C16 122.6(4) . .
C19 C18 C17 119.4(4) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
C18 C19 C20 119.5(3) . .
C18 C19 H19 120.3 . .
C20 C19 H19 120.3 . .
C19 C20 C21 118.0(4) . .
C19 C20 H20 121.0 . .
C21 C20 H20 121.0 . .
N9 C21 C20 123.1(4) . .
N9 C21 H21 118.4 . .
C20 C21 H21 118.4 . .
N10 C22 C23 123.5(4) . .
N10 C22 H22 118.3 . .
C23 C22 H22 118.3 . .
C24 C23 C22 117.4(4) . .
C24 C23 H23 121.3 . .
C22 C23 H23 121.3 . .
C23 C24 C25 120.4(4) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C24 C25 C26 119.2(4) . .
C24 C25 H25 120.4 . .
C26 C25 H25 120.4 . .
N10 C26 C25 120.7(4) . .
N10 C26 C27 115.6(3) . .
C25 C26 C27 123.7(4) . .
N11 C27 C28 120.0(4) . .
N11 C27 C26 115.8(3) . .
C28 C27 C26 124.1(3) . .
C29 C28 C27 120.4(4) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C28 C29 C30 119.5(4) . .
C28 C29 H29 120.2 . .
C30 C29 H29 120.2 . .
C31 C30 C29 117.7(4) . .
C31 C30 H30 121.2 . .
C29 C30 H30 121.2 . .
N11 C31 C30 123.5(4) . .
N11 C31 H31 118.2 . .
C30 C31 H31 118.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 1.757(2) .
U1 O2 1.768(2) .
U1 O4 2.364(2) 2_677
U1 O3 2.410(3) .
U1 O6 2.518(3) .
U1 O8 2.518(2) .
U1 O9 2.520(3) .
U1 O5 2.540(3) .
U2 O12 1.753(2) .
U2 O11 1.757(2) .
U2 O19 2.454(3) .
U2 O16 2.463(2) .
U2 O20 2.470(3) .
U2 O17 2.471(3) .
U2 O14 2.472(3) .
U2 O13 2.485(3) .
Ni N11 2.067(3) .
Ni N7 2.079(3) .
Ni N6 2.084(3) .
Ni N8 2.088(3) .
Ni N10 2.090(3) .
Ni N9 2.101(3) .
O3 C1 1.245(4) .
O4 C1 1.260(4) .
O4 U1 2.364(2) 2_677
O5 N1 1.283(4) .
O6 N1 1.271(4) .
O7 N1 1.218(4) .
O8 N2 1.263(5) .
O9 N2 1.267(4) .
O10 N2 1.226(4) .
O13 N3 1.280(4) .
O14 N3 1.291(4) .
O15 N3 1.209(4) .
O16 N4 1.281(4) .
O17 N4 1.284(4) .
O18 N4 1.198(4) .
O19 N5 1.285(4) .
O20 N5 1.272(5) .
O21 N5 1.222(5) .
N6 C2 1.330(4) .
N6 C6 1.355(4) .
N7 C11 1.342(4) .
N7 C7 1.358(4) .
N8 C12 1.349(4) .
N8 C16 1.354(4) .
N9 C21 1.337(4) .
N9 C17 1.350(5) .
N10 C22 1.330(5) .
N10 C26 1.360(4) .
N11 C31 1.333(5) .
N11 C27 1.362(4) .
C1 H1 0.9300 .
C2 C3 1.381(4) .
C2 H2 0.9300 .
C3 C4 1.383(5) .
C3 H3 0.9300 .
C4 C5 1.378(5) .
C4 H4 0.9300 .
C5 C6 1.391(4) .
C5 H5 0.9300 .
C6 C7 1.479(5) .
C7 C8 1.384(5) .
C8 C9 1.382(5) .
C8 H8 0.9300 .
C9 C10 1.375(4) .
C9 H9 0.9300 .
C10 C11 1.383(5) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C13 1.390(5) .
C12 H12 0.9300 .
C13 C14 1.376(5) .
C13 H13 0.9300 .
C14 C15 1.392(5) .
C14 H14 0.9300 .
C15 C16 1.385(5) .
C15 H15 0.9300 .
C16 C17 1.495(5) .
C17 C18 1.389(4) .
C18 C19 1.379(5) .
C18 H18 0.9300 .
C19 C20 1.381(5) .
C19 H19 0.9300 .
C20 C21 1.389(4) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.388(5) .
C22 H22 0.9300 .
C23 C24 1.372(5) .
C23 H23 0.9300 .
C24 C25 1.376(6) .
C24 H24 0.9300 .
C25 C26 1.390(5) .
C25 H25 0.9300 .
C26 C27 1.474(5) .
C27 C28 1.384(5) .
C28 C29 1.367(6) .
C28 H28 0.9300 .
C29 C30 1.385(5) .
C29 H29 0.9300 .
C30 C31 1.376(5) .
C30 H30 0.9300 .
C31 H31 0.9300 .
